(4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(diphenylmethyl)sulfanyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(diphenylmethyl)sulfanyl-propanoate Openeye Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(diphenylmethyl)thio]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(benzhydrylthio)-2-phthalimido-propionic acid (4-nitrophenyl) ester Formula: C30H22N2O6S MolecularWeight: 538.57048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C30H22N2O6S/c33-28-24-13-7-8-14-25(24)29(34)31(28)26(30(35)38-23-17-15-22(16-18-23)32(36)37)19-39-27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,26-27H,19H2